{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47211e-10 0.0 0.0 ] "source-value" [ 5.47211 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] "source-value" [ 0.102197 5.35978 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] "source-value" [ 0.0185088 0.0167086 5.27242 ] } "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" [ [ -9.408509194751814e-09 -8.727840479171145e-09 -5.082730692236333e-10 ] [ -2.607699623878501e-09 7.780688455394615e-09 1.083844878468024e-08 ] [ 9.99977981946275e-09 -4.429197881864489e-09 1.639748623863733e-09 ] [ -2.107616240669748e-09 -6.980462436451929e-10 -2.554283696211677e-09 ] [ -2.143159407478562e-09 -9.701785221924325e-09 -5.863768082662345e-09 ] [ 8.966928970416252e-09 -6.753286609035456e-10 -4.594266934752271e-09 ] [ -3.874526098137812e-10 8.172361038209922e-09 7.535309818736247e-09 ] [ -2.312271553068934e-09 8.279148993904159e-09 -6.492915284212627e-09 ] ] "source-value" [ [ -5.8723296 -5.4474896 -0.3172391 ] [ -1.6275981 4.8563238 6.7648277 ] [ 6.2413717 -2.7644879 1.0234506 ] [ -1.3154706 -0.4356862 -1.5942585 ] [ -1.3376549 -6.0553781 -3.6598762 ] [ 5.5967169 -0.421507 -2.8675159 ] [ -0.2418289 5.1007866 4.7031705 ] [ -1.4432064 5.1674384 -4.052559 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.954564133139893e-18 "source-value" -18.440939 } }