{ "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" [ [ -9.4270629 -25.8105167 0.2349444 ] [ -8.4262739 4.9102259 -7.8121521 ] [ -1.4351209 1.3342271 8.2554121 ] [ 13.3934536 19.856007 -4.1740921 ] [ -0.5920342 -7.7105382 4.7581395 ] [ 4.5053513 0.9011643 -2.1363894 ] [ 1.9816871 6.5194307 0.8741377 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.510381978119105e-08 -4.135300642750797e-08 3.764224248678835e-10 ] [ -1.350037904303724e-08 7.86704913982664e-09 -1.251644745275362e-08 ] [ -2.299317154001455e-09 2.137667466457784e-09 1.322662826168943e-08 ] [ 2.14586782296896e-08 3.181283019784115e-08 -6.687632775685976e-09 ] [ -9.485433539540314e-10 -1.235364403782532e-08 7.623379865405002e-09 ] [ 7.218368521350887e-09 1.443824372959598e-09 -3.42287314960494e-09 ] [ 3.175012741360952e-09 1.044527944846578e-08 1.400522986299884e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.9570805 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.274864834692357e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9667323 0.0943051 1.804353 ] [ 1.7321113 2.2751547 2.425519 ] [ 1.8261487 2.2641011 4.8498014 ] [ 4.1472765 2.3317156 1.8844999 ] [ 3.5859175 0.4974187 5.1891223 ] [ 5.015471 2.3384759 4.2158527 ] [ 3.5056907 4.1035158 5.2086267 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.667323e-11 9.43051e-12 1.804353e-10 ] [ 1.7321113e-10 2.2751547e-10 2.425519e-10 ] [ 1.8261487e-10 2.2641011e-10 4.8498014e-10 ] [ 4.147276500000001e-10 2.3317156e-10 1.8844999e-10 ] [ 3.5859175e-10 4.974187e-11 5.1891223e-10 ] [ 5.015471e-10 2.3384759e-10 4.2158527e-10 ] [ 3.5056907e-10 4.1035158e-10 5.2086267e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.6e-06 -2.04e-05 -2e-05 ] [ 6.36e-05 1.26e-05 -6.09e-05 ] [ 3.57e-05 -9.7e-06 6.83e-05 ] [ -6.33e-05 1.03e-05 -1.77e-05 ] [ -2.91e-05 2.81e-05 2.93e-05 ] [ -2.59e-05 2.5e-06 -4.9e-06 ] [ 1.34e-05 -2.35e-05 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972189076479999e-15 -3.268440306432e-14 -3.2043532416e-14 ] [ 1.0189843308288e-13 2.018742542208e-14 -9.757255620672e-14 ] [ 5.719770536256001e-14 -1.554111322176e-14 1.0942866320064e-13 ] [ -1.0141778009664e-13 1.650241919424e-14 -2.835852618816e-14 ] [ -4.662333966527999e-14 4.502116304448e-14 4.694377498944e-14 ] [ -4.149637447872e-14 4.005441552e-15 -7.850665441919999e-15 ] [ 2.146916671872e-14 -3.76511505888e-14 9.6130597248e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.528281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.288993188341284e-18 } }