{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7673911 -2.6834245 0.4258805 ] [ 1.2472181 -0.5652454 -0.8369083 ] [ -3.4287219 2.9825697 1.1932781 ] [ -1.6186303 1.7347905 0.5750979 ] [ 0.7290982 3.7914858 2.3542439 ] [ 0.5204562 -1.0014105 -4.640639 ] [ 3.3179707 -4.2587657 0.9290469 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.229496089559557e-09 -4.299320033003133e-09 6.823357859762369e-10 ] [ 1.998263697321875e-09 -9.056229723559835e-10 -1.340874923060662e-09 ] [ -5.493418112664085e-09 4.778603482616389e-09 1.911842289683915e-09 ] [ -2.59333164574441e-09 2.779440803985176e-09 9.214084176424686e-10 ] [ 1.168144099931459e-09 6.074629956902796e-09 3.771914567317033e-09 ] [ 8.338627626604308e-10 -1.604436504142257e-09 -7.435123372629125e-09 ] [ 5.315975127836623e-09 -6.823294894220653e-09 1.488497235070135e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.154901 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.549606471078323e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7102355 2.047345 3.558787 ] [ 1.8073814 3.2053219 1.5384074 ] [ 2.7535575 4.9264373 3.1660795 ] [ 0.7361932 3.6183725 3.8607561 ] [ 5.0451722 1.5058228 2.7156186 ] [ 4.2206315 3.6002976 1.6216935 ] [ 4.566922 3.6101929 4.1488978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7102355e-10 2.047345e-10 3.558787e-10 ] [ 1.8073814e-10 3.2053219e-10 1.5384074e-10 ] [ 2.7535575e-10 4.9264373e-10 3.1660795e-10 ] [ 7.361932000000001e-11 3.6183725e-10 3.8607561e-10 ] [ 5.0451722e-10 1.5058228e-10 2.7156186e-10 ] [ 4.2206315e-10 3.6002976e-10 1.6216935e-10 ] [ 4.566922e-10 3.6101929e-10 4.148897800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.89e-05 1e-07 3.34e-05 ] [ 3.24e-05 0.0001173 3.64e-05 ] [ -1.65e-05 -4.07e-05 -6.16e-05 ] [ 5.82e-05 -7.82e-05 -1.5e-05 ] [ -1.16e-05 6.2e-06 5.34e-05 ] [ -2.37e-05 3.4e-06 5.14e-05 ] [ 2e-07 -8.1e-06 -9.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.232467106259999e-14 1.602176634e-16 5.351269957559999e-14 ] [ 5.19105229416e-14 1.879353191682e-13 5.831922947759999e-14 ] [ -2.6435914461e-14 -6.520858900379999e-14 -9.86940806544e-14 ] [ 9.324668009879999e-14 -1.252902127788e-13 -2.403264951e-14 ] [ -1.85852489544e-14 9.9334951308e-15 8.555623225559998e-14 ] [ -3.79715862258e-14 5.4474005556e-15 8.23518789876e-14 ] [ 3.204353268e-16 -1.29776307354e-14 -1.571735277954e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.75494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.966178644407196e-18 } }