{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8938116000000003 0.4307205000000001 -1.2738155000000002 ] [ 1.1748281000000003 -0.6412557000000001 -0.8652760000000003 ] [ -0.5676228000000001 0.11108100000000003 1.5883664000000004 ] [ -0.22085030000000005 0.8198811000000003 -0.21260200000000007 ] [ -3.7328208000000007 -4.527940500000001 -4.0583974000000005 ] [ 3.959118100000001 4.222051600000001 3.991010900000001 ] [ 0.5867792000000001 -0.4632811000000001 0.17831850000000002 ] [ -2.0932432000000003 0.04874310000000001 0.6523951000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.432044048919842e-09 6.900903151992866e-10 -2.040877413312663e-09 ] [ 1.882282115278885e-09 -1.027404890494739e-09 -1.386324977739341e-09 ] [ -9.094319795930344e-10 1.779713812150849e-10 2.544843511344262e-09 ] [ -3.538411873566664e-10 1.313594330255787e-09 -3.406259539353217e-10 ] [ -5.980638215395954e-09 -7.254560409473464e-09 -6.502269432195507e-09 ] [ 6.343206458806117e-09 6.764472365331235e-09 6.394304357337968e-09 ] [ 9.401239158117275e-10 -7.42258147278507e-10 2.856977317561248e-10 ] [ -3.353745316688579e-09 7.80950552453165e-11 1.045252176744478e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.794669 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.734938182107452e-18 } }