{ "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" [ [ 6.663412566390149e-10 4.647572350522641e-09 -1.040888817511058e-09 ] [ -2.490562909474421e-09 1.780864349854415e-09 -9.365414566035888e-10 ] [ 4.351990308104576e-09 4.415434259763688e-09 -3.955549163746586e-09 ] [ -1.685874501577823e-09 2.034324367476304e-09 -6.458498660996125e-09 ] [ 1.114907295172234e-09 -2.375533836948074e-09 3.401273914166998e-09 ] [ -4.27252298792883e-09 -3.812674261321319e-09 5.207693141551377e-09 ] [ 6.312307413156141e-09 -3.307236079246329e-09 3.13626925259116e-09 ] [ -3.996585713873228e-09 -3.382751310318988e-09 6.46241950765485e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.385934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.669451662706615e-18 } }