{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3555521 1.1175512 -2.6349596 ] [ -0.792415 0.4688738 0.5055905 ] [ -0.4936511 -0.8041035 -1.6967241 ] [ -1.4979443 -0.9845963 3.8358618 ] [ 3.7625139 1.7748352 -2.0651556 ] [ -0.2335749 -1.8881339 -0.1828746 ] [ -0.269726 0.9803456 -0.0291406 ] [ -1.8307547 -0.6647721 2.2674023 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.171833882896344e-09 1.790514405186985e-09 -4.22167066787252e-09 ] [ -1.269588786971232e-09 7.512186404656551e-10 8.100452787985825e-10 ] [ -7.909162512522029e-10 -1.288315828403453e-09 -2.718451684967921e-09 ] [ -2.399971336720621e-09 -1.577497172786183e-09 6.145728096579805e-09 ] [ 6.02821180601503e-09 2.843599463212892e-09 -3.308744020634196e-09 ] [ -3.742282439856979e-10 -3.025123991519925e-09 -2.929974086581517e-10 ] [ -4.321486912219009e-10 1.570686800624149e-09 -4.668838803608448e-11 ] [ -2.933192378759718e-09 -1.06508231678012e-09 3.632778955008148e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.627805 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.708203622142135e-18 } }