{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2311805 -1.0078091 -14.3005833 ] [ -9.9156994 -2.91318 7.5428224 ] [ -8.3710511 7.72511 0.7459172 ] [ 2.0514249 -13.1420941 -3.9394986 ] [ 11.1394542 5.8908496 -6.8529258 ] [ 4.1242091 -3.3561615 10.469859 ] [ 3.2028427 6.8032851 6.3344092 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.574745233884855e-09 -1.614688178249489e-09 -2.291206022706291e-08 ] [ -1.588670175756058e-08 -4.667428888182144e-09 1.208493370412655e-08 ] [ -1.341190236394212e-08 1.237699063510829e-08 1.195091098892598e-09 ] [ 3.286745014106979e-09 -2.105595591537362e-08 -6.311772554594331e-09 ] [ 1.784737308771237e-08 9.438181505769032e-09 -1.097959750083714e-08 ] [ 6.607711399310609e-09 -5.377163490929059e-09 1.677456331287247e-08 ] [ 5.131519694039949e-09 1.090006433185699e-08 1.014884232682043e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.209574 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.795971739192754e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2632387 2.2768643 0.9826236 ] [ 1.9863264 0.639622 4.4321449 ] [ 1.5406543 3.4512505 2.394479 ] [ 4.5066548 0.2181756 1.9629724 ] [ 5.4957357 1.9925165 2.0563469 ] [ 3.764416 0.7770293 4.962463 ] [ 4.409565 3.4318166 3.2568331 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2632387e-10 2.2768643e-10 9.826236000000001e-11 ] [ 1.9863264e-10 6.396220000000001e-11 4.4321449e-10 ] [ 1.5406543e-10 3.4512505e-10 2.394479e-10 ] [ 4.5066548e-10 2.181756e-11 1.9629724e-10 ] [ 5.4957357e-10 1.9925165e-10 2.0563469e-10 ] [ 3.764416e-10 7.770293000000001e-11 4.962463e-10 ] [ 4.409565e-10 3.4318166e-10 3.2568331e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.0161689 1.0796999 0.683846 ] [ -1.8865871 -0.6241574 1.6823416 ] [ -1.446294 -0.6996391 -1.1623624 ] [ 0.539038 0.3686521 1.581377 ] [ 1.6131123 2.171829 -0.8553516 ] [ -0.3961948 0.2883712 -1.5754961 ] [ 2.5930945 -2.5847556 -0.3543547 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.628082054364053e-09 1.729869937260098e-09 1.095642073427597e-09 ] [ -3.022645744722872e-09 -1.000010393979314e-09 2.695408379719265e-09 ] [ -2.317218433603315e-09 -1.120945409017553e-09 -1.862309862176978e-09 ] [ 8.636340813227904e-10 5.906457758288237e-10 2.533645258070842e-09 ] [ 2.584490813784916e-09 3.479653648175443e-09 -1.370424336083873e-09 ] [ -6.347740458425319e-10 4.620215947520409e-10 -2.524223017581579e-09 ] [ 4.154595383425066e-09 -4.141234992801876e-09 -5.677388158105978e-10 ] ] } "relaxed-potential-energy" { "source-value" -27.446574 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.397425918385714e-18 } }