[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 4.5453 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.5453e-10 } "binding-potential-energy-per-atom" { "source-value" 4.0314955302991775e-13 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.459167938720781e-32 } "binding-potential-energy-per-formula" { "source-value" 4.0314955302991775e-13 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.459167938720781e-32 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 11.337557 11.080941 0.35025994 0.74318379 0.91966087 0.86685602 0.66484253 0.078721526 0.98139319 0.78726708 0.98933858 0.22928174 0.83322743 0.69699301 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 4.5453 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.5453e-10 } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 11.337557 11.080941 0.35025994 0.74318379 0.91966087 0.86685602 0.66484253 0.078721526 0.98139319 0.78726708 0.98933858 0.22928174 0.83322743 0.69699301 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 38.0133 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.801330000000001e-09 } "binding-potential-energy-per-atom" { "source-value" 4.0314955302991775e-13 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.459167938720781e-32 } "binding-potential-energy-per-formula" { "source-value" 4.0314955302991775e-13 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.459167938720781e-32 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.39546948 0.50566249 0.82139511 0.2415446 0.9279416 0.66987399 0.50829771 0.20570879 0.71820038 0.50109236 0.93825656 0.069766534 0.50837404 0.31110047 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 38.0133 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.801330000000001e-09 } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.39546948 0.50566249 0.82139511 0.2415446 0.9279416 0.66987399 0.50829771 0.20570879 0.71820038 0.50109236 0.93825656 0.069766534 0.50837404 0.31110047 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 5 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 38.0259 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.80259e-09 } "binding-potential-energy-per-atom" { "source-value" 4.0314955302991775e-13 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.459167938720781e-32 } "binding-potential-energy-per-formula" { "source-value" 4.0314955302991775e-13 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.459167938720781e-32 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.40609427 0.51605879 0.92774808 0.71570449 0.30804604 0.08184854 0.51544671 0.54527052 0.038069741 0.5128275 0.83098631 0.68572861 0.0060982877 0.96542384 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 6 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 38.0259 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.80259e-09 } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.40609427 0.51605879 0.92774808 0.71570449 0.30804604 0.08184854 0.51544671 0.54527052 0.038069741 0.5128275 0.83098631 0.68572861 0.0060982877 0.96542384 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 7 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 4.5373 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.5373e-10 } "binding-potential-energy-per-atom" { "source-value" 4.0314955302991775e-13 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.459167938720781e-32 } "binding-potential-energy-per-formula" { "source-value" 4.0314955302991775e-13 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.459167938720781e-32 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 15.831309 7.949287 0.37008316 0.85059111 0.41408682 0.73590019 0.72676855 0.38420119 0.8712855 0.7119272 0.55143426 0.47890851 0.58602802 0.44802779 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 8 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 4.5373 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.5373e-10 } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 15.831309 7.949287 0.37008316 0.85059111 0.41408682 0.73590019 0.72676855 0.38420119 0.8712855 0.7119272 0.55143426 0.47890851 0.58602802 0.44802779 ] } } ]