{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8403174 0.0019487 1.613535 ] [ 0.0637823 2.769237 1.974876 ] [ 2.710551 0.627508 0.2521163 ] [ 2.357874 0.9595638 1.99039 ] [ 1.619464 1.82467 0.5389468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.403174e-11 1.9487e-13 1.613535e-10 ] [ 6.37823e-12 2.769237e-10 1.974876e-10 ] [ 2.710551e-10 6.27508e-11 2.521163e-11 ] [ 2.357874e-10 9.595638e-11 1.99039e-10 ] [ 1.619464e-10 1.82467e-10 5.389467999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -52.0140957 -35.143587 -4.1174354 ] [ -3.0587227 0.8930321 3.3637373 ] [ 106.1434359 -109.0226103 -76.3146921 ] [ 74.6841067 -9.2118449 139.4340657 ] [ -125.7547242 152.4850101 -62.3656755 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.33357680825938e-08 -5.630623346245081e-08 -6.596858735534296e-09 ] [ -4.900613999450253e-09 1.430795152243928e-09 5.389301260572916e-09 ] [ 1.700605314503634e-07 -1.746734773612493e-07 -1.222696155061705e-07 ] [ 1.196571297000726e-07 -1.475900253321571e-08 2.233980002076312e-07 ] [ -2.01481279068392e-07 2.443079182046719e-07 -9.992082722649936e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 71.441567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.144620084007168e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.4562372 -0.0183669 1.2798981 ] [ 0.1401622 2.4082781 2.3742075 ] [ 2.8966238 0.0648829 0.1737368 ] [ 2.6170801 1.3894095 2.4875162 ] [ 1.4818854 2.3387238 0.0545056 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.562372e-11 -1.83669e-12 1.2798981e-10 ] [ 1.401622e-11 2.4082781e-10 2.3742075e-10 ] [ 2.8966238e-10 6.488289999999999e-12 1.737368e-11 ] [ 2.6170801e-10 1.3894095e-10 2.4875162e-10 ] [ 1.4818854e-10 2.3387238e-10 5.450560000000001e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.83e-05 6.69e-05 4.8e-06 ] [ -3.5e-06 2.73e-05 5e-07 ] [ 3.53e-05 7.7e-06 5.8e-06 ] [ -7.47e-05 -2.58e-05 -0.0001137 ] [ -5.5e-06 -7.62e-05 0.0001026 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.738513078464e-14 1.0718561593152e-13 7.69044777984e-15 ] [ -5.6076181728e-15 4.373942174784e-14 8.010883104e-16 ] [ 5.655683471424e-14 1.233675998016e-14 9.292624400640001e-15 ] [ -1.1968259357376e-13 -4.133615681664e-14 -1.8216748178496e-13 ] [ -8.8119714144e-15 -1.2208585850496e-13 1.6438332129408e-13 ] ] } "relaxed-potential-energy" { "source-value" -15.907624 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.548682326527698e-18 } }