{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1749668 -10.4398368 -7.0962306 ] [ -8.7444744 9.2149616 5.8278461 ] [ -2.6070404 -4.2775372 4.9752906 ] [ 0.5826358 1.8881989 -5.5571791 ] [ 1.9115991 2.3392552 3.0798305 ] [ 3.33776 -2.0948379 -3.5960794 ] [ 2.3445531 3.3697961 2.366522 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.08685757877619e-09 -1.672646244592749e-08 -1.136941476312556e-08 ] [ -1.401019244486411e-08 1.476399603708976e-08 9.337238771040461e-09 ] [ -4.17693917836108e-09 -6.853370096442294e-09 7.971294281006006e-09 ] [ 9.334854572011048e-10 3.025228133000277e-09 -8.903582431618386e-09 ] [ 3.062719386362321e-09 3.747899991524828e-09 4.934432423126775e-09 ] [ 5.347681037841408e-09 -3.356300307745768e-09 -5.761554341220491e-09 ] [ 3.756388163044165e-09 5.399008528283019e-09 3.791586221008858e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.223518 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.798205814272797e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7283078 1.4485901 1.3542723 ] [ 1.4191901 2.8994518 3.0665411 ] [ 2.3892251 1.7955677 4.9908542 ] [ 2.5421089 3.900117 0.8920061 ] [ 4.4544914 3.1810082 5.2621166 ] [ 4.2695946 1.5110803 3.2205516 ] [ 3.8065002 4.1696679 3.0457042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7283078e-10 1.4485901e-10 1.3542723e-10 ] [ 1.4191901e-10 2.8994518e-10 3.0665411e-10 ] [ 2.3892251e-10 1.7955677e-10 4.9908542e-10 ] [ 2.5421089e-10 3.900117e-10 8.920061e-11 ] [ 4.4544914e-10 3.1810082e-10 5.2621166e-10 ] [ 4.2695946e-10 1.5110803e-10 3.2205516e-10 ] [ 3.8065002e-10 4.1696679e-10 3.0457042e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.7e-06 -2.86e-05 -1.82e-05 ] [ -2.16e-05 -9.26e-05 1.18e-05 ] [ 2.78e-05 8.32e-05 -5.21e-05 ] [ 1.9e-06 -1.22e-05 -2.09e-05 ] [ 1.5e-05 -1.39e-05 -5e-06 ] [ -5.45e-05 -6.66e-05 -8.8e-06 ] [ 3.82e-05 0.0001307 9.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.073458335936e-14 -4.582225135488e-14 -2.915961449856e-14 ] [ -3.460701500928e-14 -1.4836155508608e-13 1.890568412544e-14 ] [ 4.454051005824e-14 1.3330109485056e-13 -8.347340194367999e-14 ] [ 3.04413557952e-15 -1.954655477376e-14 -3.348549137472e-14 ] [ 2.4032649312e-14 -2.227025502912e-14 -8.010883104e-15 ] [ -8.731862583360001e-14 -1.0670496294528e-13 -1.409915426304e-14 ] [ 6.120314691456e-14 2.0940448433856e-13 1.4932286105856e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.78446 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.689166940475277e-18 } }