{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9400296 -6.2951153 1.5720005 ] [ 0.6757046 -0.5258714 -3.6006125 ] [ -1.3071199 1.2215121 3.7076794 ] [ 3.4583235 6.578883 -1.200779 ] [ 0.7085805 -0.5825192 0.6386757 ] [ -0.6768433 0.904663 -0.9122046 ] [ 0.0813842 -1.3015521 -0.2047596 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.710446689579975e-09 -1.008588655890038e-08 2.518622448985911e-09 ] [ 1.082598112687016e-09 -8.425388626273652e-10 -5.768817168060239e-09 ] [ -2.094236944362434e-09 1.957078128644312e-09 5.940357252101771e-09 ] [ 5.54084505886323e-09 1.054053253357857e-08 -1.923860040547603e-09 ] [ 1.135271111054774e-09 -9.332986434071193e-10 1.023271274813074e-09 ] [ -1.084422511205121e-09 1.44942990830279e-09 -1.461512883506216e-09 ] [ 1.303918625425114e-10 -2.085316345373144e-09 -3.280610440043597e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.690877158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.117790335880654e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.936028 0.4422201 2.3941915 ] [ 1.3577827 2.1522324 2.9821208 ] [ 1.5553104 2.9052234 5.2513334 ] [ 3.5195224 2.8273782 2.1056386 ] [ 2.7661493 0.9259801 4.8024231 ] [ 4.8553153 1.3497239 3.570187 ] [ 3.7892398 3.3019289 4.4718805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.936028e-10 4.422201e-11 2.3941915e-10 ] [ 1.3577827e-10 2.1522324e-10 2.9821208e-10 ] [ 1.5553104e-10 2.9052234e-10 5.2513334e-10 ] [ 3.5195224e-10 2.8273782e-10 2.1056386e-10 ] [ 2.7661493e-10 9.259801e-11 4.8024231e-10 ] [ 4.8553153e-10 1.3497239e-10 3.570187e-10 ] [ 3.7892398e-10 3.3019289e-10 4.4718805e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.9e-06 -7.15e-05 -7.11e-05 ] [ -3.5e-05 -2.3e-06 -2.52e-05 ] [ -1.92e-05 5.08e-05 1.94e-05 ] [ -1.32e-05 4.39e-05 -3.38e-05 ] [ 5.92e-05 3.73e-05 3.44e-05 ] [ -1e-07 1.48e-05 3.7e-05 ] [ 1.02e-05 -7.3e-05 3.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.04413557952e-15 -1.145556283872e-13 -1.1391475773888e-13 ] [ -5.6076181728e-14 -3.68500622784e-15 -4.037485084416e-14 ] [ -3.076179111936e-14 8.139057233664001e-14 3.108222644352e-14 ] [ -2.114873139456e-14 7.033555365312e-14 -5.415356978304e-14 ] [ 9.484885595136001e-14 5.976118795584e-14 5.511487575552001e-14 ] [ -1.6021766208e-16 2.371221398784e-14 5.92805349696e-14 ] [ 1.634220153216e-14 -1.169588933184e-13 6.296554119743999e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }