{ "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" [ [ -58.1996603 -132.8377368 22.4389789 ] [ -7.7455884 6.7991833 -47.9915207 ] [ -14.8281285 6.19651 47.9031349 ] [ 65.0428541 127.4267621 -25.1460582 ] [ 1.7793274 -15.3853245 13.9237282 ] [ 8.0912506 3.5527693 -10.3074071 ] [ 5.8599452 4.2478366 -0.820856 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.324613507116191e-08 -2.128295162609438e-07 3.59512073882045e-08 ] [ -1.240980064881968e-08 1.089349252379379e-08 -7.689089246217925e-08 ] [ -2.375728081291817e-08 9.927903452553408e-09 7.674928279980854e-08 ] [ 1.042101401891254e-07 2.041601791008635e-07 -4.028842655331613e-08 ] [ 2.85079676102885e-09 -2.465000721732145e-08 2.230827179641367e-08 ] [ 1.296361254435397e-08 5.692163911555981e-09 -1.651428667668793e-08 ] [ 9.38866719860918e-09 6.805784489498562e-09 -1.315156292243405e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 11.628205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.863043819286966e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7337148 0.2883142 2.1125516 ] [ 1.177639 2.3506793 2.5214761 ] [ 1.4799441 2.7490774 5.0048052 ] [ 3.5766004 2.8400022 1.6008729 ] [ 3.1648189 0.8564844 5.6538222 ] [ 4.6390415 1.4120571 3.5427573 ] [ 4.0075892 3.4080724 5.1414896 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7337148e-10 2.883142e-11 2.1125516e-10 ] [ 1.177639e-10 2.3506793e-10 2.5214761e-10 ] [ 1.4799441e-10 2.7490774e-10 5.0048052e-10 ] [ 3.5766004e-10 2.8400022e-10 1.6008729e-10 ] [ 3.1648189e-10 8.564844e-11 5.653822199999999e-10 ] [ 4.639041500000001e-10 1.4120571e-10 3.5427573e-10 ] [ 4.0075892e-10 3.4080724e-10 5.1414896e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.8e-05 1.62e-05 3.6e-06 ] [ 5.04e-05 -9.1e-06 4e-06 ] [ -2.77e-05 1.93e-05 -1.4e-06 ] [ -3.88e-05 -4.33e-05 -2.94e-05 ] [ -6e-07 -3.48e-05 -3.91e-05 ] [ -1.2e-06 6.78e-05 5.13e-05 ] [ 3.61e-05 -1.59e-05 1.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.88391791744e-14 2.595526125696e-14 5.76783583488e-15 ] [ 8.074970168832e-14 -1.457980724928e-14 6.4087064832e-15 ] [ -4.438029239616e-14 3.092200878144e-14 -2.24304726912e-15 ] [ -6.216445288704e-14 -6.937424768064e-14 -4.710399265152e-14 ] [ -9.6130597248e-16 -5.575574640383999e-14 -6.264510587328001e-14 ] [ -1.92261194496e-15 1.0862757489024e-13 8.219166064704e-14 ] [ 5.783857601088001e-14 -2.547460827072e-14 1.76239428288e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.072753 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.856880205489306e-18 } }