{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9749524 -0.5939314 -0.7559734 ] [ 1.45448 0.7800303 1.0264656 ] [ -0.8609253 1.3120773 -1.2928484 ] [ -0.295714 0.0884108 0.5289905 ] [ -0.7495914 -0.7223288 -2.1862459 ] [ 1.384835 -0.24417 -0.8387064 ] [ -0.6567354 0.2787703 2.5169055 ] [ 0.6986035 -0.8988586 1.0014125 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.56204594167285e-09 -9.515830034390132e-10 -1.211202907426687e-09 ] [ 2.330333851421184e-09 1.24974631017561e-09 1.644579186375445e-09 ] [ -1.379354387915226e-09 2.102179574742388e-09 -2.071371480718687e-09 ] [ -4.737860572432512e-10 1.416497167862246e-10 8.475362117253025e-10 ] [ -1.200977816232741e-09 -1.157298315890519e-09 -3.502752068299854e-09 ] [ 2.218750260665568e-09 -3.91203465500736e-10 -1.343755785795333e-09 ] [ -1.052206103931736e-09 4.466392572334022e-10 4.032527148862935e-09 ] [ 1.119286194909053e-09 -1.440130234325019e-09 1.60443969527688e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.94023 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.675430018177479e-18 } }