{ "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" [ [ 3.447620500000001 -2.0594570000000005 0.7249041000000002 ] [ -0.9184752000000003 -0.2902718000000001 -0.7190905000000001 ] [ 0.7667874000000002 -2.5443442000000003 1.8434665000000003 ] [ -0.5370972000000002 2.8000009000000006 1.2690450000000002 ] [ 0.9117751000000002 -0.8806526000000002 0.9574207000000002 ] [ -1.6969705000000004 1.8099299000000004 -1.5587226000000005 ] [ 0.42342200000000013 -1.2767753000000002 -2.0200268000000006 ] [ -2.3970621000000003 2.4415701000000003 -0.4969964000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.523696962490808e-09 -3.299613856942906e-09 1.161424401342065e-09 ] [ -1.471559492224605e-09 -4.650666916375335e-10 -1.152109987339382e-09 ] [ 1.228528845404018e-09 -4.07648879250808e-09 2.953558927528004e-09 ] [ -8.605245769371421e-10 4.48609598019896e-09 2.033234229743136e-09 ] [ 1.460824748647582e-09 -1.410961006766735e-09 1.533957061809971e-09 ] [ -2.718846461287287e-09 2.899827371066883e-09 -2.497348908032591e-09 ] [ 6.783968291323778e-10 -2.045619535674906e-09 -3.236439712349438e-09 ] [ -3.840516855225753e-09 3.911826532264319e-09 -7.962760127017654e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.732844 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.725032725149356e-18 } }