{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39854e-10 0.0 0.0 ] "source-value" [ 5.39854 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] "source-value" [ 0.0197648 5.43736 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] "source-value" [ -0.0299081 -0.213673 5.1785 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.329369020660138e-09 9.335664632510523e-09 -3.484863926546285e-10 ] [ -4.50211470227138e-09 5.512440229770728e-09 -1.429641408837523e-08 ] [ -2.497258545271177e-09 3.071469193323834e-09 6.032978281461909e-09 ] [ -1.559099699084861e-09 1.96097558349207e-09 -1.002393567615689e-08 ] [ 1.047430608230481e-08 -1.252151353522859e-08 9.756677234911891e-09 ] [ 5.054849935116496e-09 -3.060179776200692e-09 -4.106010979575927e-09 ] [ -2.393267829739194e-09 -4.09986134505231e-09 8.194917922636502e-09 ] [ -6.906784421932496e-09 -1.989949826155603e-10 4.790274018187701e-09 ] ] "source-value" [ [ 1.4538778 5.8268636 -0.2175081 ] [ -2.809999 3.4405946 -8.9231199 ] [ -1.5586662 1.9170603 3.7654889 ] [ -0.9731135 1.2239447 -6.2564486 ] [ 6.5375477 -7.8153141 6.089639 ] [ 3.1549892 -1.910014 -2.5627705 ] [ -1.4937603 -2.5589322 5.1148655 ] [ -4.3108758 -0.1242029 2.9898539 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.910417878410589e-18 "source-value" -30.648418 } }