{ "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" [ [ 0.0431145 -0.326207 -0.6060122 ] [ -0.0551939 0.1515651 -0.0795119 ] [ 0.8510539 1.508538 -0.1926019 ] [ -1.37617 0.9115893 -1.1070485 ] [ -0.865365 0.1345182 1.0111098 ] [ -0.4040998 -0.6195422 0.898391 ] [ 0.2882753 -1.3012245 -0.1440436 ] [ 1.5183849 -0.4592369 0.2197174 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.90770439174816e-11 -5.226412289413057e-10 -9.709385787595739e-10 ] [ -8.843037619077311e-11 2.428340597492141e-10 -1.273921072553875e-10 ] [ 1.363538661620661e-09 2.41694431518839e-09 -3.085822613016595e-10 ] [ -2.204867400246336e-09 1.460527064231438e-09 -1.773687224791709e-09 ] [ -1.386467571458592e-09 2.155219151120986e-10 1.619976482621764e-09 ] [ -6.474392520299559e-10 -9.926160284389978e-10 1.439381056537133e-09 ] [ 4.618679460141063e-10 -2.08479147231217e-09 -2.307832882958669e-10 ] [ 2.432720788155746e-09 -7.357786245886676e-10 3.52026081462962e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 619.19098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.920533119662404e-17 } }