{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8565395 0.9488179 -2.3598255 ] [ -0.8140194 2.4224997 -0.6733711 ] [ 0.3755897 -0.2038924 -2.5153387 ] [ -0.4122325 -0.3322782 3.4410583 ] [ 0.6884791 0.3611006 -0.3109967 ] [ -1.3578261 0.6831465 2.4515793 ] [ 0.3156579 -0.9990317 -1.3917448 ] [ -0.6521883 -2.8803625 1.3586393 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.974504182491722e-09 1.520173856776552e-09 -3.78085724526767e-09 ] [ -1.304202851557643e-09 3.881272383235014e-09 -1.078859433542379e-09 ] [ 6.017610363532857e-10 -3.266716364388019e-10 -4.030016858533466e-09 ] [ -6.604692738339361e-10 -5.323683636415066e-10 5.513183159069792e-09 ] [ 1.103065117929425e-09 5.785469390768524e-10 -4.982716418859514e-10 ] [ -2.175477232532043e-09 1.094521350881347e-09 3.92786303849723e-09 ] [ 5.057397075508243e-10 -1.600625233178079e-09 -2.229820980679971e-09 ] [ -1.044920846619297e-09 -4.61484945692904e-09 2.176780122560077e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.498285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.367016906389534e-18 } }