{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.1142177 -23.6054308 -32.6748872 ] [ -19.1583273 -38.2257333 71.1076193 ] [ 21.383154 9.7389108 19.1980938 ] [ -183.6936182 -251.3315411 172.0904749 ] [ 157.7085448 220.9653667 -168.7444244 ] [ -13.1853731 2.6324028 4.5926127 ] [ 47.7913959 73.9974051 -62.7704164 ] [ -17.9599936 5.8286198 -2.7990727 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.139823336812922e-08 -3.782006966326392e-08 -5.235094079042568e-08 ] [ -3.06950243465843e-08 -6.124437671077571e-08 1.139269661418274e-07 ] [ 3.425958970002363e-08 1.560345532437025e-08 3.075873730370027e-08 ] [ -2.943096228949571e-07 -4.026775225376306e-07 2.757193378187435e-07 ] [ 2.526769454607022e-07 3.540255474499817e-07 -2.703583738914595e-07 ] [ -2.112529669139214e-08 4.217574257436175e-09 7.358176756951651e-09 ] [ 7.657025781722339e-08 1.185569134278524e-07 -1.005692944625304e-07 ] [ -2.877508209270954e-08 9.338478452029754e-09 -4.484608876807291e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 36.757699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.889232645740517e-18 } }