{ "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" [ [ 6.3153714 3.0838311 -3.0100773 ] [ -1.019248 -0.8052754 5.025202 ] [ 8.0034189 5.7565749 -9.1523551 ] [ -11.8110553 7.7268271 -5.3559982 ] [ 1.1839103 -0.4930584 -1.6834344 ] [ -6.0066759 -5.3110467 2.5913431 ] [ 6.6419682 -4.4887035 4.8767017 ] [ -3.3076896 -5.469149 6.7086183 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.011834049211187e-08 4.940842131622516e-09 -4.822675516593808e-09 ] [ -1.633015329851232e-09 -1.290193429815004e-09 8.051261225530067e-09 ] [ 1.282289075369398e-08 9.223049796650887e-09 -1.466368948729073e-08 ] [ -1.892339682454186e-08 1.237974183457798e-08 -8.581255167786058e-09 ] [ 1.89683341941193e-09 -7.899666476774255e-10 -2.69715926055181e-09 ] [ -9.62375577499092e-09 -8.509234924822807e-09 4.151789365497125e-09 ] [ 1.064160625381104e-08 -7.191695864654018e-09 7.813337514728077e-09 ] [ -5.299502989644805e-09 -8.762542735664465e-09 1.07483914866848e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -24.142948292303476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.868126762979883e-18 } }