{ "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" [ 5.4726 0 0 ] "si-unit" "m" "si-value" [ 5.4726e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038105 5.56078 0 ] "si-unit" "m" "si-value" [ 3.8105e-12 5.560780000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0300683 -0.0732695 5.55519 ] "si-unit" "m" "si-value" [ -3.00683e-12 -7.32695e-12 5.55519e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0119551 0.065874 -0.0174062 ] [ 1.35048 1.36142 1.35358 ] [ 0.0629681 2.82177 2.8468 ] [ 1.33242 4.00392 4.21267 ] [ 2.75302 -0.0155517 2.72 ] [ 4.0777 1.32793 4.00537 ] [ 2.56601 2.8685 0.00815077 ] [ 4.04738 3.99965 1.27482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.19551e-12 6.587400000000001e-12 -1.74062e-12 ] [ 1.35048e-10 1.36142e-10 1.35358e-10 ] [ 6.296810000000001e-12 2.82177e-10 2.8468e-10 ] [ 1.33242e-10 4.00392e-10 4.21267e-10 ] [ 2.75302e-10 -1.55517e-12 2.72e-10 ] [ 4.0777e-10 1.32793e-10 4.00537e-10 ] [ 2.56601e-10 2.8685e-10 8.15077e-13 ] [ 4.047380000000001e-10 3.99965e-10 1.27482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0269344 -0.1673986 0.1719983 ] [ -0.1037951 -0.5814652 1.0711353 ] [ -1.1662988 0.0976721 -1.5513303 ] [ 0.7707242 3.5841471 -1.3592881 ] [ -0.8495491 -1.8368716 0.2670474 ] [ -0.4030696 0.7474813 1.6755119 ] [ 1.6566488 -2.5541315 -0.5099236 ] [ 2.122274 0.7105665 0.234849 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.247506907575276e-09 -2.682021232746509e-10 2.755716550773446e-10 ] [ -1.662980825735981e-10 -9.316099492487962e-10 1.716147935373594e-09 ] [ -1.868616670227095e-09 1.564879551244397e-10 -2.485505137798651e-09 ] [ 1.234836294324783e-09 5.74243668912812e-09 -2.177819614751653e-09 ] [ -1.361127706241681e-09 -2.94299273293149e-09 4.278571009254259e-10 ] [ -6.457886896752077e-10 1.197597063345191e-09 2.684465994052187e-09 ] [ 2.654243976236375e-09 -4.092169775748835e-09 -8.16987670314171e-10 ] [ 3.4002577857317e-09 1.138453033823683e-09 3.762695772182592e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -214.27483 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.433061230518945e-17 } }