{ "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" [ 5.54692 0 0 ] "si-unit" "m" "si-value" [ 5.54692e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.123956 5.52099 0 ] "si-unit" "m" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.202669 -0.109883 5.46638 ] "si-unit" "m" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1139063 0.3248497 -0.445206 ] [ 0.1106167 0.0307392 1.8821189 ] [ -0.413739 0.4011281 -0.2544975 ] [ -0.009633 -1.0269393 -1.5540678 ] [ -1.6163123 0.4146861 0.3963479 ] [ 3.3613701 -1.1846481 -1.0463375 ] [ -0.8213097 2.3523502 1.3543966 ] [ 1.5029133 -1.3121658 -0.3327546 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.386851252421831e-09 5.204665946138938e-10 -7.132986446398848e-10 ] [ 1.772274906100473e-10 4.924962758209536e-11 3.015486899145813e-09 ] [ -6.628829529131713e-10 6.426780637659246e-10 -4.07749944552048e-10 ] [ -1.54337673881664e-11 -1.645338137440717e-09 -2.48989109629809e-09 ] [ -2.589617778971476e-09 6.644003743907309e-10 6.350193390831763e-10 ] [ 5.385508588076157e-09 -1.898015489695141e-09 -1.67641747996632e-09 ] [ -1.315883199776262e-09 3.768880494374205e-09 2.169982567811009e-09 ] [ 2.407932552349377e-09 -2.102321367373329e-09 -5.331316405836557e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.974974038775915 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.719690654361372e-18 } }