{ "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" [ [ 0.6460061000000001 0.24100250000000006 -0.6577000000000001 ] [ 0.6233900000000001 -0.26876380000000005 -0.5420008000000001 ] [ -0.5138355000000001 0.23173800000000006 0.9258103000000002 ] [ -0.003172800000000001 0.22876880000000005 -0.14363140000000002 ] [ -1.3960134000000002 -1.8450613000000005 -1.6168434000000005 ] [ 1.5536643000000006 1.3991997000000003 1.5993269000000006 ] [ 0.44731500000000013 -0.07290970000000001 0.07055500000000002 ] [ -1.3573538000000003 0.08602570000000001 0.36448350000000007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.035015870314187e-09 3.861285710543521e-10 -1.05375156350016e-09 ] [ 9.987808836405122e-10 -4.306070768773671e-10 -8.683810102148968e-10 ] [ -8.232552250370785e-10 3.712852057509505e-10 1.483311617955835e-09 ] [ -5.083385982474241e-12 3.665280229284711e-10 -2.301228710927732e-10 ] [ -2.236660031803519e-09 -2.956114078802856e-09 -2.590468694974784e-09 ] [ 2.489244618031598e-09 2.241765047170374e-09 2.56240416819654e-09 ] [ 7.166776351331522e-10 -1.168142167695418e-10 1.13041571480544e-10 ] [ -2.17472052451404e-09 1.378283653279546e-10 5.839669423673569e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 640.28827 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.025854896766478e-16 } }