{ "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" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2189441 0.4016385 -0.5579515 ] [ 1.0249297 1.9001082 0.6643581 ] [ 1.66417 -0.7760451 0.1887188 ] [ -0.6285849 -0.0854885 -2.2954538 ] [ 0.0402321 -0.3615067 -0.8036955 ] [ 1.4989213 -0.2310516 -1.2013328 ] [ -0.4701062 -1.0217847 2.7317623 ] [ -0.9106179 0.1741299 1.2735944 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.555140359882097e-09 6.434958147131809e-10 -8.939368488402913e-10 ] [ 1.642118403303558e-09 3.04430893503037e-09 1.064419015659108e-09 ] [ 2.666294267036736e-09 -1.243361315906398e-09 3.023608492654311e-10 ] [ -1.007104030967906e-09 -1.369676760472608e-10 -3.677722412486519e-09 ] [ 6.445893002568769e-11 -5.791975830025594e-10 -1.287662140342166e-09 ] [ 2.401536663279143e-09 -3.701854717184333e-10 -1.924747325960202e-09 ] [ -7.53193162933129e-10 -1.637079557831142e-09 4.376765690642836e-09 ] [ -1.458970709861992e-09 2.789868547622419e-10 2.040523172061803e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.992983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.766711587545186e-18 } }