[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB3_tP32_86_g_3g" } "stoichiometric-species" { "source-value" [ "Si" "Ti" ] } "a" { "source-value" 10.4893 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.04893e-09 } "binding-potential-energy-per-atom" { "source-value" -11.591619924490185 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.857182259322702e-18 } "binding-potential-energy-per-formula" { "source-value" -46.36647969796074 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.428729037290807e-18 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.49442765 0.54631397 0.7922948 0.030242754 0.66887849 0.13703298 0.73865594 0.61082665 0.77976495 0.52678485 0.57268706 0.030454772 0.2445642 ] } "library-prototype-label" { "source-value" "AB3_tP32_86_g_3g-001" } "short-name" { "source-value" "Ti3P" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB3_tP32_86_g_3g" } "stoichiometric-species" { "source-value" [ "Si" "Ti" ] } "a" { "source-value" 10.4893 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.04893e-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" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.49442765 0.54631397 0.7922948 0.030242754 0.66887849 0.13703298 0.73865594 0.61082665 0.77976495 0.52678485 0.57268706 0.030454772 0.2445642 ] } "library-prototype-label" { "source-value" "AB3_tP32_86_g_3g-001" } "short-name" { "source-value" "Ti3P" } } ]