{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 37.2618157 31.6735458 -23.3485523 ] [ 3.5274621 4.4354673 11.5105484 ] [ 36.9651938 34.7209079 -39.468703 ] [ -66.0682508 57.3008525 -44.8655417 ] [ 0.5912828 -0.2593196 -0.1342645 ] [ -36.5575406 -35.1738801 26.6825858 ] [ 60.8795092 -53.1948122 45.3466876 ] [ -36.5994723 -39.5027617 24.2772399 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.970001045495435e-08 5.074661499668883e-08 -3.740850493278695e-08 ] [ 5.651617353940571e-09 7.106402068931068e-09 1.844193169100608e-08 ] [ 5.922476977764166e-08 5.562902734864601e-08 -6.32358337208857e-08 ] [ -1.058530076810118e-07 9.180608698378046e-08 -7.188252258349263e-08 ] [ 9.473394862460951e-10 -4.154758038582263e-10 -2.15115444675693e-10 ] [ -5.857163734582634e-08 -5.635476882333758e-08 4.275021550346019e-08 ] [ 9.753972712962803e-08 -8.522748515685814e-08 7.265340330201753e-08 ] [ -5.863881933579024e-08 -6.329040177421012e-08 3.88964265057925e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 18.110967 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.901696814654507e-18 } }