{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.248369 0.1750326 1.959235 ] [ 0.2041437 1.690187 0.8451771 ] [ 0.5672117 2.337944 2.235934 ] [ 2.305261 0.0188332 0.1900716 ] [ 2.629759 0.4646214 2.471997 ] [ 1.518408 2.931316 1.102854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.248369e-10 1.750326e-11 1.959235e-10 ] [ 2.041437e-11 1.690187e-10 8.451771e-11 ] [ 5.672117e-11 2.337944e-10 2.235934e-10 ] [ 2.305261e-10 1.88332e-12 1.900716e-11 ] [ 2.629759e-10 4.646214e-11 2.471997e-10 ] [ 1.518408e-10 2.931316e-10 1.102854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -74.478693 -15.8068239 -22.6478527 ] [ -27.4980933 -34.8208362 -50.6421602 ] [ -17.6712455 5.1544327 82.2134816 ] [ 2.9956347 -1.4122383 -4.18378 ] [ 73.9106421 13.3538662 27.4986203 ] [ 42.7417549 33.5315994 -32.2383091 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.193280206723406e-07 -2.532532370168268e-08 -3.628586010726216e-08 ] [ -4.405680220183712e-08 -5.578912967634631e-08 -8.113768509924824e-08 ] [ -2.831245640051721e-08 8.25831156542702e-09 1.31720518134091e-07 ] [ 4.799535880797222e-09 -2.262655187258337e-09 -6.703154502570624e-09 ] [ 1.184179028009362e-07 2.139525222293134e-08 4.405764654891628e-08 ] [ 6.847984043274384e-08 5.37235446167113e-08 -5.165146513414389e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 31.840941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.101481125447217e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1060981 0.1007932 2.7813582 ] [ 0.6801331 1.825036 -0.0627105 ] [ 0.0348911 2.1062674 2.2351167 ] [ 1.7513604 -0.1804245 0.4835357 ] [ 3.400899 0.1035364 2.1687206 ] [ 1.4997707 3.6627257 1.199248 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1060981e-10 1.007932e-11 2.7813582e-10 ] [ 6.801331e-11 1.825036e-10 -6.271050000000001e-12 ] [ 3.48911e-12 2.1062674e-10 2.2351167e-10 ] [ 1.7513604e-10 -1.804245e-11 4.835357000000001e-11 ] [ 3.400899e-10 1.035364e-11 2.1687206e-10 ] [ 1.4997707e-10 3.6627257e-10 1.199248e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-05 7.3e-06 1.33e-05 ] [ -0.0 8.2e-06 -6.9e-06 ] [ -2.1e-06 -6.7e-06 -4.4e-06 ] [ 1.2e-06 -1.47e-05 2e-07 ] [ 9.8e-06 9.1e-06 -1.19e-05 ] [ 5.2e-06 -3.2e-06 9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.24304726912e-14 1.169588933184e-14 2.130894905664e-14 ] [ 0.0 1.313784829056e-14 -1.105501868352e-14 ] [ -3.36457090368e-15 -1.073458335936e-14 -7.04957713152e-15 ] [ 1.92261194496e-15 -2.355199632576e-14 3.2043532416e-16 ] [ 1.570133088384e-14 1.457980724928e-14 -1.906590178752e-14 ] [ 8.33131842816e-15 -5.126965186560001e-15 1.538089555968e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.419315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.790881924335076e-18 } }