{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9624284 -11.5877667 -10.0025432 ] [ -6.4869608 -12.279785 7.0565265 ] [ 0.5325583 7.54083 -3.8947796 ] [ -9.0101783 4.842196 3.267369 ] [ 1.334116 -0.3983383 -0.6036691 ] [ 1.8542415 2.0041963 -2.1606963 ] [ 15.7386517 9.8786677 6.3377928 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.34851014407395e-09 -1.856564889402477e-08 -1.602584086358202e-08 ] [ -1.039325693380607e-08 -1.967438443545053e-08 1.130580178235565e-08 ] [ 8.532524574729927e-10 1.208174152742726e-08 -6.240124818288776e-09 ] [ -1.443589702149949e-08 7.758053224531278e-09 5.234902223326675e-09 ] [ 2.137489464635213e-09 -6.382083114292167e-10 -9.671845187193772e-10 ] [ 2.970822380617123e-09 3.211076455353863e-09 -3.461817096509063e-09 ] [ 2.521609979665417e-08 1.582737043359211e-08 1.015426345163457e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.055057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.690387659011386e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5129946 1.1801796 2.6150756 ] [ 2.7360526 1.4029348 5.7115491 ] [ 2.7394079 4.9520975 2.7528975 ] [ 1.4556846 3.9613367 3.9375448 ] [ 4.4459601 1.2830702 1.7579229 ] [ 3.6036982 3.7086281 1.2295629 ] [ 4.0513578 2.81421 5.7043668 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5129946e-10 1.1801796e-10 2.6150756e-10 ] [ 2.7360526e-10 1.4029348e-10 5.7115491e-10 ] [ 2.7394079e-10 4.9520975e-10 2.7528975e-10 ] [ 1.4556846e-10 3.9613367e-10 3.9375448e-10 ] [ 4.4459601e-10 1.2830702e-10 1.7579229e-10 ] [ 3.6036982e-10 3.7086281e-10 1.2295629e-10 ] [ 4.0513578e-10 2.81421e-10 5.7043668e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1809181 -0.9219711 -0.3958444 ] [ 0.5851796 0.0785857 -0.8406438 ] [ -0.1163517 1.1215758 -0.647968 ] [ 1.1931559 -0.2885212 -1.1441445 ] [ 0.136041 -2.8830008 1.5102431 ] [ -2.0062348 3.2591959 0.020753 ] [ 0.0272918 -0.3658644 1.4976045 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.898627500995565e-10 -1.477160541473259e-09 -6.342126431546035e-10 ] [ 9.375610740890956e-10 1.259081712692026e-10 -1.346859842780471e-09 ] [ -1.864159735303354e-10 1.796962525215057e-09 -1.038159180626534e-09 ] [ 1.911646487949583e-09 -4.62261921245161e-10 -1.833121568716905e-09 ] [ 2.179617096702528e-10 -4.619076479507697e-09 2.419676186544517e-09 ] [ -3.214342492395364e-09 5.221807473587214e-09 3.32499714114624e-11 ] [ 4.372628389954944e-11 -5.861793880630195e-10 2.399426917104874e-09 ] ] } "relaxed-potential-energy" { "source-value" -26.76429 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.288111971031123e-18 } }