{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0477307 -0.6234752 0.1146877 ] [ -4.0179954 2.2085915 -3.5776396 ] [ -12.72852 4.9529611 3.2349411 ] [ -1.981556 -9.1349715 -7.9719768 ] [ 6.6003525 -11.6988313 8.5142267 ] [ 5.2228761 5.5599093 -1.068552 ] [ 8.9525734 8.7358159 0.7543128 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.280826253234418e-09 -9.989173890886042e-10 1.837499516333242e-10 ] [ -6.437538292361944e-09 3.538553666197603e-09 -5.732010524768264e-09 ] [ -2.039333716138521e-08 7.93551847815185e-09 5.182947000085035e-09 ] [ -3.174802696005965e-09 -1.463583776897431e-08 -1.277251485052e-08 ] [ 1.057493046453883e-08 -1.874359399954327e-08 1.364129496293114e-08 ] [ 8.367969980755083e-09 8.907956694228493e-09 -1.712009032509082e-09 ] [ 1.434360379747597e-08 1.399631999859291e-08 1.208542332930186e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.417343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.790565975105453e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0286869 1.5399624 2.6006114 ] [ 1.947562 3.7242233 1.3442849 ] [ 2.1056399 3.5542932 3.9889849 ] [ 3.4799097 1.3980552 1.7109629 ] [ 4.073962 1.7559933 4.160565 ] [ 4.5334241 3.7303132 1.1795586 ] [ 4.6470534 4.2426013 3.6499842 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0286869e-10 1.5399624e-10 2.6006114e-10 ] [ 1.947562e-10 3.7242233e-10 1.3442849e-10 ] [ 2.1056399e-10 3.5542932e-10 3.9889849e-10 ] [ 3.4799097e-10 1.3980552e-10 1.7109629e-10 ] [ 4.073962e-10 1.7559933e-10 4.160565e-10 ] [ 4.5334241e-10 3.7303132e-10 1.1795586e-10 ] [ 4.6470534e-10 4.242601299999999e-10 3.6499842e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-06 2.85e-05 -9.8e-06 ] [ -9.82e-05 -3.77e-05 1.56e-05 ] [ -1.97e-05 2.1e-06 -4.61e-05 ] [ 3.03e-05 -2.62e-05 1.29e-05 ] [ -1.28e-05 1.56e-05 -3.63e-05 ] [ 1.93e-05 1.29e-05 3.73e-05 ] [ 8.6e-05 4.8e-06 2.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.69044777984e-15 4.56620336928e-14 -1.570133088384e-14 ] [ -1.5733374416256e-13 -6.040205860416e-14 2.499395528448e-14 ] [ -3.156287942976e-14 3.36457090368e-15 -7.386034221888001e-14 ] [ 4.854595161024e-14 -4.197702746496e-14 2.066807840832e-14 ] [ -2.050786074624e-14 2.499395528448e-14 -5.815901133504e-14 ] [ 3.092200878144e-14 2.066807840832e-14 5.976118795584e-14 ] [ 1.377871893888e-13 7.69044777984e-15 4.229746278912e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.755005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.805971363798711e-18 } }