{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4014232 0.5891749 -0.4006289 ] [ -0.1021833 -1.0146263 1.859143 ] [ -0.185761 0.9405568 -1.335214 ] [ 1.4139199 -0.3147215 -0.8178173 ] [ -0.1099678 0.5018772 0.4419311 ] [ -1.4976535 -1.1099883 1.2319423 ] [ 0.2935279 -0.2971653 -2.9028569 ] [ 1.589541 0.7048925 1.9235007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.245327486886723e-09 9.43962250342178e-10 -6.418782571968212e-10 ] [ -1.637156942961927e-10 -1.625610536708807e-09 2.978675449323975e-09 ] [ -2.976219312564288e-10 1.506938115494461e-09 -2.139248654564851e-09 ] [ 2.265349407463874e-09 -5.042394293631072e-10 -1.31028775814578e-09 ] [ -1.761878382008102e-10 8.040959163525659e-10 7.08051676424427e-10 ] [ -2.399505423759293e-09 -1.778397303621536e-09 1.97378915123458e-09 ] [ 4.702835389325203e-10 -4.761112961730183e-10 -4.650889458707964e-09 ] [ 2.546725428003053e-09 1.129362283677264e-09 3.081787851632434e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.355491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.625880082190482e-18 } }