{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1039242 1.0335095 4.0786707 ] [ 0.599636 -0.1436461 -1.4611937 ] [ 0.5409253 -0.4074155 0.2379556 ] [ 5.2573911 -4.8362243 -3.3547687 ] [ -4.4241793 2.614129 4.8703176 ] [ -0.4656835 1.5122194 1.1035908 ] [ -0.9346233 1.0094694 -1.0761154 ] [ 4.5304579 -0.7820413 -4.3984569 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.177388027575344e-09 1.655864758274698e-09 6.53475083948197e-09 ] [ 9.607227801900288e-10 -2.301464230890989e-10 -2.341090384600249e-09 ] [ 8.666578692592264e-10 -6.527515890515424e-10 3.812468991084365e-10 ] [ 8.423269106821995e-09 -7.748485506404845e-09 -5.374931979331609e-09 ] [ -7.088316640687309e-09 4.188296367555283e-09 7.803108994590767e-09 ] [ -7.461072163923167e-10 2.422842568200204e-09 1.768147378689969e-09 ] [ -1.497431600514945e-09 1.617348272093003e-09 -1.72412693516284e-09 ] [ 7.258593728898665e-09 -1.252968287360039e-09 -7.047104812776444e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.328385 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.50001358768214e-18 } }