{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] "source-value" [ 5.36644 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] "source-value" [ -0.227231 5.37948 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] "source-value" [ -0.0350261 -0.0899265 5.39939 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 7.520191199489392e-09 3.257028002362042e-09 1.051652712126912e-10 ] [ 8.385794035443821e-10 5.599508435398496e-09 -4.717293110715979e-09 ] [ 5.370064086104633e-09 8.93426683760696e-09 -7.46149209441548e-09 ] [ -8.493197066742784e-09 -6.350515428332544e-10 -3.711055216429277e-09 ] [ 1.203989395583327e-08 2.577462225167128e-09 -1.276885740173004e-09 ] [ -9.050733702485113e-09 -9.042744929418478e-09 -4.101253316100461e-09 ] [ -2.202358551875825e-09 -9.246189957598313e-09 9.493326342227361e-09 ] [ -6.022439484085611e-09 -1.444278910466919e-09 1.166948786439415e-08 ] ] "source-value" [ [ 4.6937342 2.032877 0.065639 ] [ 0.5234001 3.4949383 -2.9443028 ] [ 3.3517304 5.5763308 -4.6570971 ] [ -5.3010367 -0.396368 -2.3162585 ] [ 7.5147108 1.6087254 -0.7969694 ] [ -5.6490237 -5.6440375 -2.559801 ] [ -1.3746041 -5.7710179 5.9252683 ] [ -3.7589111 -0.901448 7.2835215 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.867529893656485e-18 "source-value" -17.897714 } }