{ "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" [ 5.44038 0 0 ] "si-unit" "m" "si-value" [ 5.44038e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0177809 5.34742 0 ] "si-unit" "m" "si-value" [ 1.77809e-12 5.34742e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.258508 -0.216411 5.45927 ] "si-unit" "m" "si-value" [ 2.58508e-11 -2.16411e-11 5.459270000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0111666 -0.0485116 -0.0844937 ] [ 1.40892 1.32935 1.34318 ] [ 0.251238 2.67562 2.78628 ] [ 1.4893 4.10816 4.17197 ] [ 2.79244 -0.0558727 2.81547 ] [ 4.18247 1.3542 3.88471 ] [ 2.61313 2.71504 -0.144964 ] [ 4.08224 4.0407 1.29994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.11666e-12 -4.851160000000001e-12 -8.44937e-12 ] [ 1.40892e-10 1.32935e-10 1.34318e-10 ] [ 2.51238e-11 2.67562e-10 2.78628e-10 ] [ 1.4893e-10 4.10816e-10 4.17197e-10 ] [ 2.79244e-10 -5.58727e-12 2.81547e-10 ] [ 4.182470000000001e-10 1.3542e-10 3.88471e-10 ] [ 2.61313e-10 2.71504e-10 -1.44964e-11 ] [ 4.08224e-10 4.0407e-10 1.29994e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0138804 4.1787465 2.1726759 ] [ 0.2954155 -0.7960631 -0.2558395 ] [ -1.3821142 1.1106542 -1.1937412 ] [ 2.4585951 -3.895963 -2.1022501 ] [ -0.1768985 0.9717009 -1.917537 ] [ 1.3575478 -1.4034442 1.7329641 ] [ 0.0014121 1.2446726 1.12467 ] [ 0.4599226 -1.4103039 0.4390578 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.828768714767353e-09 6.695089946549827e-09 3.481010531555599e-09 ] [ 4.733078075219424e-10 -1.275433687501572e-09 -4.099000655771616e-10 ] [ -2.214391058515696e-09 1.779464193033327e-09 -1.912584241925737e-09 ] [ 3.939103589233438e-09 -6.242020834101831e-09 -3.368175961294462e-09 ] [ -2.834226409545888e-10 1.556836464390319e-09 -3.072232950918969e-09 ] [ 2.175031346778474e-09 -2.248565485837359e-09 2.776514565705713e-09 ] [ 2.26243360623168e-12 1.99418534027035e-09 1.801919980115136e-09 ] [ 7.368772370975502e-10 -2.259555936803061e-09 7.034481423398823e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.177577 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.55323953753918e-18 } }