{ "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" [ [ 0.3837337 -0.4953515 -0.8324153 ] [ -0.2466062 0.1194031 -0.0413884 ] [ 1.1096879 1.7935369 -0.4920432 ] [ -1.914719 1.10355 -1.4763825 ] [ -0.7212368 0.1886358 1.3147766 ] [ -0.9010652 -0.7267941 1.3086306 ] [ 0.6315202 -1.6507604 0.0201842 ] [ 1.6586855 -0.3322197 0.198638 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.14809162753081e-10 -7.936405923782112e-10 -1.333676332456218e-09 ] [ -3.951066881843289e-10 1.913048552710445e-10 -6.631152685231873e-11 ] [ 1.777916009764648e-09 2.873562889722108e-09 -7.883401114636186e-10 ] [ -3.067718017201555e-09 1.76808200988384e-09 -2.365425524858256e-09 ] [ -1.155548739020606e-09 3.022278686059046e-10 2.106504330094913e-09 ] [ -1.443665597256476e-09 -1.164452515155377e-09 2.096657352583477e-09 ] [ 1.01180690000294e-09 -2.644809719422456e-09 3.233865334955136e-11 ] [ 2.657507129359958e-09 -5.322746363091897e-10 3.182531596024704e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.072989 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.696700354777557e-18 } }