{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3139298 0.3055455 0.5169957 ] [ -0.671287 0.2936769 -0.6399879 ] [ 0.6054763 -1.1410734 -0.5837478 ] [ -1.4611254 1.0722985 -0.6410875 ] [ 0.5668838 -0.1774921 -1.3327999 ] [ -0.0481749 0.2401265 0.7716778 ] [ 0.2317103 -2.0050957 1.1220525 ] [ -0.537413 1.4120137 0.7868971 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.105147624276293e-09 4.895378607238471e-10 8.283184304184736e-10 ] [ -1.075520346107958e-09 4.705222671255546e-10 -1.025373659422729e-09 ] [ 9.70079980300774e-10 -1.828201139158935e-09 -9.352670853089052e-10 ] [ -2.340980975223903e-09 1.718011601373249e-09 -1.027135412849475e-09 ] [ 9.082479785531292e-10 -2.843736953395914e-10 -2.135380857577536e-09 ] [ -7.718469912528659e-11 3.84725067504201e-10 1.236364140136525e-09 ] [ 3.712408285171302e-10 -3.212517479473874e-09 1.797726297621285e-09 ] [ -8.610305514078419e-10 2.262295357027886e-09 1.260748146982361e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.53429 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.212567924177985e-18 } }