{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0341905 -2.5893641 4.2701761 ] [ -1.3156462 2.7122619 -0.2396197 ] [ -4.7513881 1.5209101 -3.4676976 ] [ 0.1780256 3.3520589 1.0280657 ] [ 5.0654248 -2.9717779 -2.3255083 ] [ 0.2779488 -1.7287616 1.8206257 ] [ 1.5798255 -0.2953272 -1.086042 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.656955840553463e-09 -4.148618623758834e-09 6.841576314118922e-09 ] [ -2.107897582884361e-09 4.345522605666588e-09 -3.839130812231098e-10 ] [ -7.612562930167333e-09 2.43676660455859e-09 -5.55586402272427e-09 ] [ 2.852284542238925e-10 5.370590401124565e-09 1.647142829186387e-09 ] [ 8.115705188980515e-09 -4.761313073590121e-09 -3.725875029736353e-09 ] [ 4.453230691394151e-10 -2.769781418456801e-09 2.916963931767634e-09 ] [ 2.53115948104367e-09 -4.731663353263258e-10 -1.740031101606874e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.244765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.083351255579012e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3392807 3.4006444 3.4335609 ] [ 2.5533429 5.7361871 1.3767423 ] [ 1.4100134 3.6779438 1.0995594 ] [ 2.484509 5.462312 3.7112052 ] [ 3.4638809 2.5329924 1.1127997 ] [ 4.6091113 4.5946574 1.3904453 ] [ 3.7742608 3.4257959 3.3582402 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3392807e-10 3.4006444e-10 3.4335609e-10 ] [ 2.5533429e-10 5.736187100000001e-10 1.3767423e-10 ] [ 1.4100134e-10 3.6779438e-10 1.0995594e-10 ] [ 2.484509e-10 5.462312e-10 3.7112052e-10 ] [ 3.4638809e-10 2.5329924e-10 1.1127997e-10 ] [ 4.6091113e-10 4.5946574e-10 1.3904453e-10 ] [ 3.7742608e-10 3.4257959e-10 3.3582402e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.5e-06 7.3e-06 1.8e-06 ] [ 5.1e-06 -3e-07 8e-06 ] [ 1.8e-06 -5.3e-06 3.7e-06 ] [ -1e-06 -8.3e-06 -1.9e-06 ] [ 9e-07 -7e-06 -5.1e-06 ] [ 6.1e-06 1.03e-05 -1.23e-05 ] [ -8.5e-06 3.4e-06 5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.2097947936e-15 1.169588933184e-14 2.88391791744e-15 ] [ 8.17110076608e-15 -4.8065298624e-16 1.28174129664e-14 ] [ 2.88391791744e-15 -8.491536090240001e-15 5.928053496960001e-15 ] [ -1.6021766208e-15 -1.329806595264e-14 -3.04413557952e-15 ] [ 1.44195895872e-15 -1.12152363456e-14 -8.17110076608e-15 ] [ 9.77327738688e-15 1.650241919424e-14 -1.970677243584e-14 ] [ -1.36185012768e-14 5.44740051072e-15 9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.906204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669978452007545e-18 } }