{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.36967320000000004 1.6091899000000005 -1.2317182000000002 ] [ 0.6035329000000001 0.26635640000000005 0.4993104000000001 ] [ 1.0634537000000002 1.3388013000000003 -2.5675502000000003 ] [ 1.0002058000000003 -0.17691590000000001 0.7177723000000001 ] [ -0.6182385000000001 -0.8825668000000002 -1.8652642000000004 ] [ -0.32223150000000006 -1.4792248000000001 2.6530081000000005 ] [ -1.5952074000000005 -0.6018439000000001 -1.1355254000000001 ] [ -0.5011882000000001 -0.07379620000000002 2.9299671000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.922817583763226e-10 2.57820643620749e-09 -1.973430103453859e-09 ] [ 9.669663022636247e-10 4.267499968804532e-10 7.999834494022965e-10 ] [ 1.703840655443257e-09 2.144996142756647e-09 -4.113668903170365e-09 ] [ 1.602506348748561e-09 -2.834505188277908e-10 1.149997998117844e-09 ] [ -9.90527270778461e-10 -1.41402789325427e-09 -2.988482692855216e-09 ] [ -5.162717757853153e-10 -2.369979391467556e-09 4.250587552613029e-09 ] [ -2.555804001607155e-09 -9.642602259510933e-10 -1.819312248204569e-09 ] [ -8.029920166608347e-10 -1.18234546343881e-10 4.694324787333176e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.035388 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.773505617505687e-18 } }