{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.11534e-10 0.0 0.0 ] "source-value" [ 5.11534 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] "source-value" [ -0.215947 5.44617 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] "source-value" [ 0.311017 -0.240161 5.43903 ] } "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" [ [ 1.792749585768897e-08 1.949443580806772e-08 -1.271622301581884e-08 ] [ 2.187259479183744e-09 3.931231935277786e-10 4.670086899196052e-10 ] [ 2.319620128401427e-08 1.580689766051386e-08 -1.204863623256466e-08 ] [ -5.399376227817493e-09 4.178198649402691e-09 -8.187599179832688e-09 ] [ -1.325100505853958e-08 1.054471789956508e-08 1.796340512185564e-08 ] [ -1.191338801246684e-08 -2.296455666556706e-08 5.624360277616712e-09 ] [ -5.520627352303016e-09 -3.886101824223092e-09 9.760985487845222e-09 ] [ -7.226559969760051e-09 -2.356671472128698e-08 -8.633011490209882e-10 ] ] "source-value" [ [ 11.189462900000002 12.167469900000004 -7.936842200000002 ] [ 1.3651800000000003 0.24536820000000006 0.2914839000000001 ] [ 14.477930200000003 9.865889600000001 -7.5201673000000016 ] [ -3.370025600000001 2.6078265000000003 -5.110297500000001 ] [ -8.270626900000002 6.581495300000002 11.211875700000002 ] [ -7.435752000000002 -14.333349000000004 3.5104496000000007 ] [ -3.445704600000001 -2.4255140000000006 6.092328000000002 ] [ -4.510464000000001 -14.709186500000003 -0.5388302000000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.496305390230742e-18 "source-value" -21.822222 } }