{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.0057696 0.0248389 -3.5011873 ] [ -0.801352 -0.1541879 -0.593102 ] [ -1.4076194 -0.7261393 -1.963107 ] [ -1.3392718 3.7487501 3.7048919 ] [ 0.7357717 -0.9622531 0.9295198 ] [ 0.7899965 -1.4459936 -0.9826687 ] [ -1.043799 0.2480041 -0.3193219 ] [ -0.9394956 -0.7330192 2.7249753 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.417950401431367e-09 3.979630486638912e-11 -5.609520437101876e-09 ] [ -1.283907439431322e-09 -2.470362485902483e-10 -9.502541581497217e-10 ] [ -2.255254893664524e-09 -1.163403409904078e-09 -3.145244139528826e-09 ] [ -2.145749966856734e-09 6.006159767441662e-09 5.935891184771292e-09 ] [ 1.178836215986271e-09 -1.541699420112324e-09 1.489254892130692e-09 ] [ 1.265713922813827e-09 -2.316737139746427e-09 -1.574408817131929e-09 ] [ -1.672350354614419e-09 3.973463708825452e-10 -5.116100826894356e-10 ] [ -1.505237885664468e-09 -1.174426224837519e-09 4.365891717917467e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.46643 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.682348496923975e-18 } }