{ "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" [ [ -2.8590301 2.5836065 1.7773503 ] [ 0.1659333 -0.5650601 -0.3230189 ] [ -0.3899652 0.8030527 -0.806045 ] [ 1.438651 -1.5316444 -0.8960214 ] [ 0.2094918 0.0362253 -1.199798 ] [ 1.3557066 -0.3936542 0.2801223 ] [ -0.0640747 0.2463572 0.9119832 ] [ 0.1432872 -1.178883 0.2554276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.580671184383486e-09 4.139393931646916e-09 2.847629097631866e-09 ] [ 2.658544538721927e-10 -9.053260815669101e-10 -5.175333296565331e-10 ] [ -6.247931263655962e-10 1.286632261210316e-09 -1.291426454312736e-09 ] [ 2.304972997690541e-09 -2.453964849059243e-09 -1.435584538816485e-09 ] [ 3.356428642093095e-10 5.803932874146625e-11 -1.922288305282599e-09 ] [ 2.172081419184258e-09 -6.307035559197274e-10 4.488054000247238e-10 ] [ -1.026589863247738e-10 3.947077462057498e-10 1.46115816160237e-09 ] [ 2.295714018998938e-10 -1.888778781258567e-09 4.09240129027054e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 660.70503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.058566152310963e-16 } }