{ "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" [ [ -3.6111694 3.9099456 3.0378956 ] [ 0.292244 -0.5613513 -0.2505822 ] [ -1.1538706 0.8045885 -0.9853449 ] [ 2.8536812 -3.7535354 -2.619718 ] [ 0.0064436 0.5494039 -1.8759315 ] [ 1.4098951 -0.9507684 1.2014451 ] [ -0.0646109 0.9697493 1.049592 ] [ 0.267387 -0.9680322 0.442644 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.785731186428363e-09 6.264423428919828e-09 4.867245306751189e-09 ] [ 4.682265043690752e-10 -8.99383928915687e-10 -4.014769424286297e-10 ] [ -1.848704498748469e-09 1.289092884064541e-09 -1.578696562204514e-09 ] [ 4.572101301856489e-09 -6.013826663225176e-09 -4.197250932688935e-09 ] [ 1.032378527378688e-11 8.802420839563411e-10 -3.005573591522275e-09 ] [ 2.258900967000478e-09 -1.523298902275423e-09 1.924927250394718e-09 ] [ -1.035180734288467e-10 1.553709656497165e-09 1.681631763778714e-09 ] [ 4.284012001058496e-10 -1.55095855902159e-09 7.091938681373952e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.265389240654237 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.606002636958808e-18 } }