{ "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" [ 5.55975 0 0 ] "si-unit" "m" "si-value" [ 5.55975e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00335003 5.48819 0 ] "si-unit" "m" "si-value" [ 3.35003e-13 5.488190000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0164792 -0.0422926 5.51812 ] "si-unit" "m" "si-value" [ 1.64792e-12 -4.22926e-12 5.51812e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0695878 -0.00317054 -0.0200442 ] [ 1.39636 1.32374 1.28539 ] [ -0.0674176 2.58156 2.68412 ] [ 1.50658 3.99879 4.14654 ] [ 2.80481 -0.0668971 2.57568 ] [ 4.18687 1.32364 3.96453 ] [ 2.74594 2.77319 -0.0797703 ] [ 4.04367 4.06467 1.27465 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.958780000000001e-12 -3.17054e-13 -2.00442e-12 ] [ 1.39636e-10 1.32374e-10 1.28539e-10 ] [ -6.74176e-12 2.58156e-10 2.68412e-10 ] [ 1.50658e-10 3.99879e-10 4.14654e-10 ] [ 2.80481e-10 -6.689710000000001e-12 2.57568e-10 ] [ 4.18687e-10 1.32364e-10 3.96453e-10 ] [ 2.74594e-10 2.77319e-10 -7.97703e-12 ] [ 4.04367e-10 4.06467e-10 1.27465e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5630684 -0.6556651 -1.1197106 ] [ -0.445956 0.1412401 -0.0407658 ] [ 1.6867006 2.4293501 -0.8781526 ] [ -2.7955498 1.7621918 -2.1645801 ] [ -1.0382615 0.385078 1.9361525 ] [ -1.345141 -1.1940106 1.9243114 ] [ 0.9562042 -2.471939 0.1704516 ] [ 2.4189352 -0.3962452 0.1722936 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.021350263912627e-10 -1.050491294294494e-09 -1.79397414538194e-09 ] [ -7.145002771054849e-10 2.262915861394541e-10 -6.531401168820863e-11 ] [ 2.702392267609332e-09 3.892247933958143e-09 -1.406955565214734e-09 ] [ -4.478964531842116e-09 2.823342503325469e-09 -3.468039630068926e-09 ] [ -1.663478301576739e-09 6.169629687844224e-10 3.102058269803472e-09 ] [ -2.155153461879533e-09 -1.913015868307381e-09 3.083086736218917e-09 ] [ 1.532008013950767e-09 -3.960482873843731e-09 2.730935684979533e-10 ] [ 3.875561424670172e-09 -6.348547955442202e-10 2.760447778334668e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.894432 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.750921976729539e-18 } }