{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39143e-10 0.0 0.0 ] "source-value" [ 5.39143 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] "source-value" [ 0.144963 5.17841 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] "source-value" [ -0.144779 0.421312 5.38784 ] } "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" [ [ 4.629863934695543e-09 -8.907848226871266e-09 1.599405335899002e-09 ] [ -3.989515916389249e-09 5.377182236395524e-09 8.510766375348814e-09 ] [ 7.938862701412447e-09 1.444594218825892e-09 -4.217374911916831e-09 ] [ -3.63249873431717e-09 -1.8392510158151e-09 -2.584308325867807e-09 ] [ 2.693904736960645e-09 9.798370677114969e-10 -7.901859791484423e-10 ] [ -1.043401903073947e-08 6.994339529035327e-09 -1.245001768526669e-08 ] [ 8.228976512588484e-09 2.280601808458566e-09 4.45523261108184e-09 ] [ -5.435574204211227e-09 -6.329455457522777e-09 5.476482579870114e-09 ] ] "source-value" [ [ 2.8897338 -5.5598416 0.9982703 ] [ -2.49006 3.3561732 5.3120026 ] [ 4.9550484 0.9016448 -2.6322784 ] [ -2.2672274 -1.1479702 -1.6129984 ] [ 1.6814031 0.6115662 -0.4931953 ] [ -6.5124025 4.3655234 -7.7706899 ] [ 5.1361232 1.4234397 2.7807375 ] [ -3.3926186 -3.9505354 3.4181516 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.720537518373098e-18 "source-value" -29.463278 } }