{ "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" [ [ 0.5286717 0.5459164 0.2171681 ] [ 0.0530602 2.45185 0.0097729 ] [ 0.1982568 1.952172 2.366336 ] [ 2.940741 0.007829 0.5912968 ] [ 2.574768 0.9414562 2.330693 ] [ 2.158325 2.742494 1.504322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.286717e-11 5.459164e-11 2.171681e-11 ] [ 5.30602e-12 2.45185e-10 9.7729e-13 ] [ 1.982568e-11 1.952172e-10 2.366336e-10 ] [ 2.940741e-10 7.828999999999999e-13 5.912968e-11 ] [ 2.574768e-10 9.414562e-11 2.330693e-10 ] [ 2.158325e-10 2.742494e-10 1.504322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.1429317 -13.0210623 0.3274048 ] [ -2.9481143 12.1682724 -3.3471394 ] [ -3.5078257 -0.3117251 4.2419122 ] [ 0.5285729 -4.5802406 -7.5399517 ] [ 1.5139523 -5.4581116 10.8513284 ] [ 0.2704832 11.2028672 -4.5335544 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.637708311311199e-09 -2.086204159504028e-08 5.245603160976999e-10 ] [ -4.723399806906158e-09 1.949572155480591e-08 -5.36270849323854e-09 ] [ -5.620156326381395e-09 -4.994386673365421e-10 6.796292554326293e-09 ] [ 8.468671427684563e-10 -7.338354406958964e-09 -1.208033433570121e-08 ] [ 2.425618980066388e-09 -8.744858799237281e-09 1.738574466710307e-08 ] [ 4.333618593591706e-10 1.794897191376716e-08 -7.263554868804971e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.9297684 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.500536297238624e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4869131 0.3829303 0.0241002 ] [ 0.0126806 2.8228173 -0.0262761 ] [ 0.2924065 1.5161771 2.314768 ] [ 2.7243721 -0.2135674 0.6734959 ] [ 2.7968367 1.0541792 2.7110004 ] [ 2.1406136 3.0791811 1.3225004 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.869131e-11 3.829303e-11 2.41002e-12 ] [ 1.26806e-12 2.8228173e-10 -2.62761e-12 ] [ 2.924065e-11 1.5161771e-10 2.314768e-10 ] [ 2.7243721e-10 -2.135674e-11 6.734959e-11 ] [ 2.7968367e-10 1.0541792e-10 2.7110004e-10 ] [ 2.1406136e-10 3.0791811e-10 1.3225004e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.57e-05 1.82e-05 -3.13e-05 ] [ 5.8e-06 -6.7e-06 6.3e-06 ] [ -1.9e-05 -3.4e-06 1.41e-05 ] [ 2.11e-05 -1.41e-05 2.23e-05 ] [ 2.06e-05 6.1e-06 -6e-06 ] [ -2.8e-06 0.0 -5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.117593915456e-14 2.915961449856e-14 -5.014812823104e-14 ] [ 9.292624400640001e-15 -1.073458335936e-14 1.009371271104e-14 ] [ -3.04413557952e-14 -5.44740051072e-15 2.259069035328e-14 ] [ 3.380592669888e-14 -2.259069035328e-14 3.572853864384e-14 ] [ 3.300483838848e-14 9.77327738688e-15 -9.6130597248e-15 ] [ -4.48609453824e-15 0.0 -8.491536090240001e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.127106 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.263411895276341e-18 } }