{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9871547000000005 -1.8773190000000004 1.0829087000000002 ] [ -0.8659919000000003 -0.09614630000000003 -0.6977113000000001 ] [ 1.1049314000000001 -2.5061714000000004 1.8992365000000004 ] [ -0.5755545000000001 2.6334323000000004 1.1617982000000002 ] [ 0.8755819000000002 -0.8339865000000002 0.9878313000000002 ] [ -1.5729391000000004 1.4869242000000003 -1.5747823000000005 ] [ 0.5508010000000001 -1.3231355000000002 -2.1662942000000003 ] [ -2.5039834000000005 2.5164022000000004 -0.6929871000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.785949462483281e-09 -3.007796636364246e-09 1.735011015895316e-09 ] [ -1.387471987413265e-09 -1.540433553055542e-10 -1.117856742137764e-09 ] [ 1.770295271252908e-09 -4.015329257879068e-09 3.042912342739941e-09 ] [ -9.22139971493553e-10 4.219223698280879e-09 1.861405929463259e-09 ] [ 1.402836861333325e-09 -1.336193683371441e-09 1.582680227193844e-09 ] [ -2.52012627272499e-09 2.382315209769143e-09 -2.523079404696779e-09 ] [ 8.82480492183834e-10 -2.119896781715907e-09 -3.470785949609723e-09 ] [ -4.011823695403876e-09 4.031720806586195e-09 -1.110287739283421e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.566368 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.698360376584531e-18 } }