{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -36.3259878 -32.9320904 5.0452709 ] [ -5.2847395 10.2502124 -26.254373 ] [ -20.3264976 18.5851578 9.307538 ] [ 6.613976 -16.136792 -15.2553011 ] [ 12.4717239 -12.1885373 3.803841 ] [ 34.9106009 33.9858056 -2.9843064 ] [ 7.940924 -1.5637561 26.3373307 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.820064838062603e-08 -5.276302531295212e-08 8.083415081582576e-09 ] [ -8.46708607391828e-09 1.642265066551426e-08 -4.206414261436276e-08 ] [ -3.256663923746731e-08 2.977670532103876e-08 1.491231978080759e-08 ] [ 1.05967577177323e-08 -2.585399087711247e-08 -2.444168676568453e-08 ] [ 1.99819044536526e-08 -1.952818950380876e-08 6.094425119440493e-09 ] [ 5.593294858005944e-08 5.445126317137371e-08 -4.781385943383813e-09 ] [ 1.272276278034962e-08 -2.505413464053387e-09 4.21970555018181e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.878936 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.505391974717947e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3121518 2.0257891 2.4245166 ] [ 4.0129874 3.74685 0.4889928 ] [ 1.8210774 3.355165 4.3166393 ] [ 3.4137937 1.6509821 1.4065611 ] [ 4.8326059 1.5479632 3.2947922 ] [ 4.5219719 5.0761438 2.381156 ] [ 4.1686988 3.6227599 4.2132252 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3121518e-10 2.0257891e-10 2.4245166e-10 ] [ 4.0129874e-10 3.74685e-10 4.889928e-11 ] [ 1.8210774e-10 3.355165e-10 4.316639300000001e-10 ] [ 3.4137937e-10 1.6509821e-10 1.4065611e-10 ] [ 4.8326059e-10 1.5479632e-10 3.2947922e-10 ] [ 4.5219719e-10 5.076143799999999e-10 2.381156e-10 ] [ 4.1686988e-10 3.6227599e-10 4.2132252e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.8e-06 5.25e-05 -1.75e-05 ] [ -9.7e-06 -1.51e-05 3e-06 ] [ 9.1e-06 -2.55e-05 1.65e-05 ] [ -2.8e-06 -2.43e-05 -2.94e-05 ] [ 2.07e-05 -1.74e-05 3.89e-05 ] [ -1.7e-05 3.48e-05 -1.47e-05 ] [ -2.2e-06 -5.1e-06 3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.88391791744e-15 8.4114272592e-14 -2.8038090864e-14 ] [ -1.554111322176e-14 -2.419286697408e-14 4.8065298624e-15 ] [ 1.457980724928e-14 -4.08555038304e-14 2.64359142432e-14 ] [ -4.48609453824e-15 -3.893289188544e-14 -4.710399265152e-14 ] [ 3.316505605055999e-14 -2.787787320192e-14 6.232467054911999e-14 ] [ -2.72370025536e-14 5.575574640383999e-14 -2.355199632576e-14 ] [ -3.52478856576e-15 -8.17110076608e-15 5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }