{ "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" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4158975 2.9007865 -0.6496717 ] [ -1.5544871 1.1115281 -0.5845432 ] [ 2.7162987 2.7558973 -2.4688596 ] [ -1.0522401 1.2697254 -4.0310778 ] [ 0.6958704 -1.4826916 2.1229082 ] [ -2.6666991 -2.3796841 3.2503864 ] [ 3.9398324 -2.0642144 1.9575053 ] [ -2.4944726 -2.1113473 0.4033525 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.66341251149168e-10 4.647572312232259e-09 -1.040888808935391e-09 ] [ -2.490562888955192e-09 1.780864335182244e-09 -9.365414488876187e-10 ] [ 4.351990272249433e-09 4.415434223385844e-09 -3.95554913115764e-09 ] [ -1.685874487688254e-09 2.034324350715928e-09 -6.458498607785899e-09 ] [ 1.114907285986744e-09 -2.375533817376545e-09 3.401273886144611e-09 ] [ -4.272522952728402e-09 -3.812674229909489e-09 5.207693098646278e-09 ] [ 6.312307361150353e-09 -3.3072360519987e-09 3.13626922675209e-09 ] [ -3.99658568094619e-09 -3.382751282449204e-09 6.46241945441232e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.385934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.669451615997183e-18 } }